Reaction Details Report a problem with these data
Target
Pepsin A
Ligand
BDBM50040382
Substrate
n/a
Meas. Tech.
ChEMBL_153985 (CHEMBL762336)
IC50
>10000±n/a nM
Citation
Raddatz, P; Minck, KO; Rippmann, F; Schmitges, CJ Non-peptide renin inhibitors containing 2-(((3-phenylpropyl)phosphoryl)oxy)alkanoic acid moieties as P2-P3 replacements. J Med Chem 37:486-97 (1994) [PubMed] Article
More Info.:
Target
Name:
Pepsin A
Synonyms:
PEPA_PIG | PGA | Pepsin | Pepsin A precursor
Type:
Enzyme
Mol. Mass.:
41232.87
Organism:
Porcine
Description:
n/a
Residue:
385
Sequence:
MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA
Inhibitor
Name:
BDBM50040382
Synonyms:
(3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1R,2R,4S)-4-butylcarbamoyl-1-cyclohexylmethyl-2-hydroxy-pentylcarbamoyl)-pentyl] ester | CHEMBL344138
Type:
Small organic molecule
Emp. Form.:
C32H55N2O6P
Mol. Mass.:
594.7627
SMILES:
CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1